CID 75355393

4-cyclopropyloxane-4-carboxylic acid

Structural Information

Molecular Formula
C9H14O3
SMILES
C1CC1C2(CCOCC2)C(=O)O
InChI
InChI=1S/C9H14O3/c10-8(11)9(7-1-2-7)3-5-12-6-4-9/h7H,1-6H2,(H,10,11)
InChIKey
UXBGITNBLFSMPT-UHFFFAOYSA-N
Compound name
4-cyclopropyloxane-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

170.0943 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.101576 136.3
[M+Na]+ 193.083518 143.0
[M-H]- 169.087024 142.7
[M+NH4]+ 188.128123 151.3
[M+K]+ 209.057458 143.4
[M+H-H2O]+ 153.091560 131.0
[M+HCOO]- 215.092501 154.0
[M+CH3COO]- 229.108151 177.6
[M+Na-2H]- 191.068966 142.5
[M]+ 170.09375142 135.6
[M]- 170.09484858 135.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.